8-methyl-2-oxo-N-(pyridin-4-ylmethyl)chromene-3-carboxamide

C17H14N2O3 — CID 100794132

IUPAC8-methyl-2-oxo-N-(pyridin-4-ylmethyl)chromene-3-carboxamide
SMILESCc1cccc2cc(C(=O)NCc3ccncc3)c(=O)oc12
InChIInChI=1S/C17H14N2O3/c1-11-3-2-4-13-9-14(17(21)22-15(11)13)16(20)19-10-12-5-7-18-8-6-12/h2-9H,10H2,1H3,(H,19,20)
InChIKeyJCVIEDIRAGDQGM-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.43
Rot. Bonds3

About 8-methyl-2-oxo-N-(pyridin-4-ylmethyl)chromene-3-carboxamide

8-methyl-2-oxo-N-(pyridin-4-ylmethyl)chromene-3-carboxamide (PubChem CID 100794132) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 8-methyl-2-oxo-N-(pyridin-4-ylmethyl)chromene-3-carboxamide.

Molecular Properties

Compound Name8-methyl-2-oxo-N-(pyridin-4-ylmethyl)chromene-3-carboxamide
PubChem CID100794132
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name8-methyl-2-oxo-N-(pyridin-4-ylmethyl)chromene-3-carboxamide
SMILESCc1cccc2cc(C(=O)NCc3ccncc3)c(=O)oc12
InChIInChI=1S/C17H14N2O3/c1-11-3-2-4-13-9-14(17(21)22-15(11)13)16(20)19-10-12-5-7-18-8-6-12/h2-9H,10H2,1H3,(H,19,20)
InChIKeyJCVIEDIRAGDQGM-UHFFFAOYSA-N
XLogP2.43
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

N-[(4-methoxyphenyl)methyl]-8-methyl-2-oxochromene-3-carboxamide
CID 100794114
N-[(2S)-butan-2-yl]-8-methyl-2-oxochromene-3-carboxamide
CID 100794085
N-butan-2-yl-8-methyl-2-oxochromene-3-carboxamide
CID 133155176
8-methyl-N-(2-morpholin-4-ylethyl)-2-oxochromene-3-carboxamide
CID 100794305
N-(2-ethylphenyl)-8-methyl-2-oxochromene-3-carboxamide
CID 100794147
2-oxo-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]chromene-3-carboxamide
CID 121165322
N-(2-chlorophenyl)-8-methyl-2-oxochromene-3-carboxamide
CID 100794157
N-(1,3-benzodioxol-5-yl)-8-methyl-2-oxochromene-3-carboxamide
CID 100794204
2-methoxy-3,5-dimethyl-N-(pyridin-4-ylmethyl)benzamide
CID 110762827
2,6-dihydroxy-N-(pyridin-4-ylmethyl)benzamide
CID 113254463
N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-oxochromene-3-carboxamide
CID 56786046
2-oxo-N-[(2-pyridin-4-yl-3-pyridinyl)methyl]chromene-3-carboxamide
CID 91816022

Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-oxo-N-(pyridin-4-ylmethyl)chromene-3-carboxamide?
The IUPAC name of 8-methyl-2-oxo-N-(pyridin-4-ylmethyl)chromene-3-carboxamide (CID 100794132) is 8-methyl-2-oxo-N-(pyridin-4-ylmethyl)chromene-3-carboxamide.
What is the SMILES notation for 8-methyl-2-oxo-N-(pyridin-4-ylmethyl)chromene-3-carboxamide?
The canonical SMILES for 8-methyl-2-oxo-N-(pyridin-4-ylmethyl)chromene-3-carboxamide is Cc1cccc2cc(C(=O)NCc3ccncc3)c(=O)oc12.
What is the InChIKey of 8-methyl-2-oxo-N-(pyridin-4-ylmethyl)chromene-3-carboxamide?
The InChIKey is JCVIEDIRAGDQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-11-3-2-4-13-9-14(17(21)22-15(11)13)16(20)19-10-12-5-7-18-8-6-12/h2-9H,10H2,1H3,(H,19,20).
What are the key properties of 8-methyl-2-oxo-N-(pyridin-4-ylmethyl)chromene-3-carboxamide?
8-methyl-2-oxo-N-(pyridin-4-ylmethyl)chromene-3-carboxamide has a molecular weight of 294.31 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-oxo-N-(pyridin-4-ylmethyl)chromene-3-carboxamide is sourced from PubChem (CID 100794132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).